Geometry & MOs

Info

ID:	124551
PubChem CID:	50887216
Reduced:	O4N7H11C12 (1)
Stoich.:	A4B7C11D12 (1)
Weight, g/mol:	344.137222
ΔH_f, kcal/mol:	-21.74
Dipole, Da:	5.25
IP(EA), eV:	-10.2(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3,4-diethoxy-5-nitrophenyl)methylideneamino]-3-methylphenol

Drug info:

PubChemData

Smile

CCN1C(=O)C(=C(/C(=N\NC2=NNC(=N2)C(=O)O)/C1=O)C)C#N

DOS

IR

Vibrations